N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide

C10H20N2O2S — CID 115640219

IUPACN-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide
SMILESCSCCC(C)NC(=O)N1CCOCC1
InChIInChI=1S/C10H20N2O2S/c1-9(3-8-15-2)11-10(13)12-4-6-14-7-5-12/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyPMHMPTJOELEMLV-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.17
Rot. Bonds4

About N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide

N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide (PubChem CID 115640219) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide
PubChem CID115640219
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide
SMILESCSCCC(C)NC(=O)N1CCOCC1
InChIInChI=1S/C10H20N2O2S/c1-9(3-8-15-2)11-10(13)12-4-6-14-7-5-12/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyPMHMPTJOELEMLV-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methylsulfanyl-2-(morpholine-4-carbonylamino)butanoate
CID 3285258
N-[(2R)-octan-2-yl]morpholine-4-carboxamide
CID 7815302
N-(4-amino-4-oxobutan-2-yl)morpholine-4-carboxamide
CID 115665185
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
N-(1-cyclopropylpropan-2-yl)morpholine-4-carboxamide
CID 115624308
N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-carboxamide
CID 111444624
N-(1-amino-4-methylpentan-3-yl)morpholine-4-carboxamide
CID 106357280
N-(1-amino-3-methylbutan-2-yl)morpholine-4-carboxamide
CID 79155057
N-butan-2-yl-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 110624587
(2S)-2-[(4-methylpiperazine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 2017199
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide (CID 115640219) is N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide is CSCCC(C)NC(=O)N1CCOCC1.
What is the InChIKey of N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide?
The InChIKey is PMHMPTJOELEMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-9(3-8-15-2)11-10(13)12-4-6-14-7-5-12/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide?
N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide has a molecular weight of 232.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 115640219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).